NXT
Summary
| Name: | 4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid |
| Formula: | C9 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 166.174 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H10O3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h5H,1-4H2,(H,10,11) |
| InChIKey | InChI | 1.03 | QQPMDRGNNFKVEL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1coc2CCCCc12 |
| SMILES | CACTVS | 3.385 | OC(=O)c1coc2CCCCc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(c2c(o1)CCCC2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c2c(o1)CCCC2)C(=O)O |
